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MZmine is an open-source project for mass-spectrometry data processing

8 March 202325 May 2023 chris

Just came across this project, MZmine is an open-source project delivering a graphical, interactive software for mass-spectrometry data processing.

Available on GitHub https://github.com/mzmine

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Vortex script to export multiple workspaces to individual sdf files.

19 November 202419 November 2024 chris
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Boltz-1:Democratizing Biomolecular Interaction Modeling

18 November 202418 November 2024 chris

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Avatar Chris Swain @macinchem ·
19 Nov

Vortex script to export multiple workspaces to individual sdf files https://macinchem.org/2024/11/19/vortex-script-to-export-multiple-workspaces-to-individual-sdf-files/ #Vortex #cheminformatics

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18 Nov

Do not forget to register for the BMCS-CICAG Hot Topics: Robotics and Automation 2024 ❗

The BMCS Hot Topics online meetings are intended to highlight breaking areas of research in fields of science relevant to drug discovery.

📅 Registration Deadline: 17:00, 19th November 2024…

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18 Nov

Boltz-1:Democratizing Biomolecular Interaction Modeling https://macinchem.org/2024/11/18/boltz-1democratizing-biomolecular-interaction-modeling/

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Avatar Gabriele Corso @gabricorso ·
17 Nov

Thrilled to announce Boltz-1, the first open-source and commercially available model to achieve AlphaFold3-level accuracy on biomolecular structure prediction! An exciting collaboration with @jeremyWohlwend, @pas_saro and an amazing team at MIT and Genesis Therapeutics. A thread!

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